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The Journal of Physical Chemistry. A|November 26, 2024
Accurate Structure and Spectroscopic Properties of Azulene and Its Derivatives by Means of Pisa Composite Schemes and Vibrational Perturbation Theory to Second OrderLina Uribe, Silvia Di Grande, Marco Mendolicchio, et al.
The Journal of Chemical Physics|March 20, 2025
Molecular structures with spectroscopic accuracy at DFT cost by the templating synthon approach and the PCS141 databaseFederico Lazzari, Silvia Di Grande, Luigi Crisci, et al.
The Journal of Physical Chemistry. A|January 6, 2025
Structures and Rotational Constants of Monocyclic Monoterpenes at DFT Cost by Pisa Composite Schemes and Vibrational Perturbation TheoryFederico Lazzari, Lina Uribe, Silvia Di Grande, et al.
The Journal of Physical Chemistry. A|September 4, 2023
DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and ProlineVincenzo Barone, Lina Marcela Uribe Grajales, Silvia Di Grande, et al.
The Journal of Physical Chemistry. A|March 26, 2024
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and EstriolLina Uribe, Silvia Di Grande, Luigi Crisci, et al.
The Journal of Chemical Physics|July 3, 2024
Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)Lina Uribe, Federico Lazzari, Silvia Di Grande, et al.
The Journal of Chemical Physics|March 20, 2026
Mechanical and electrical anharmonicity in the infrared spectra of graphene fragments: From planar polycyclic aromatic hydrocarbons to buckybowlsVincenzo Barone, Luigi Crisci, Silvia Di Grande, et al.
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